(Q105280058)

English

[(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

422.19406792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3aR,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aS,4S,5R,6S,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aS,4S,5R,6S,10R,11aR)-5-(acetyloxy)-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3aH,4H,5H,10H,11H,11aH-cyclodeca[b]furan-4-yl 3-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₂H₃₀O₈

0 references

canonical SMILES

O=C1OC2CC(C=CC(=O)C(O)(C)C(OC(=O)C)C(OC(=O)CC(C)C)C2C1=C)C

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@](C)(O)[C@H](OC(C)=O)[C@@H](OC(=O)CC(C)C)[C@@H]12

0 references

found in taxon

Neurolaena lobata

2 references

stated in

Antiplasmodial activities and cytotoxic effects of aqueous extracts and sesquiterpene lactones from Neurolaena lobata

stated in

Sesquiterpene lactones from Neurolaena lobata

Neurolaena macrocephala

1 reference

stated in

Germacranolide type sesquiterpene lactones from Neurolaena macrocephala

Neurolaena oaxacana

1 reference

stated in

Sesquiterpene lactones from neurolaena oaxacana

Identifiers

InChI

InChI=1S/C22H30O8/c1-11(2)9-17(25)30-19-18-13(4)21(26)29-15(18)10-12(3)7-8-16(24)22(6,27)20(19)28-14(5)23/h7-8,11-12,15,18-20,27H,4,9-10H2,1-3,5-6H3/b8-7-/t12-,15+,18-,19-,20+,22-/m0/s1

0 references

InChIKey

UVRIFAYGSSDVER-QGYAONMESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UVRIFAYGSSDVER-QGYAONMESA-N

1 reference

(Q105280058)

[(3aS,4S,5R,6R,8Z,10R,11aR)-5-acetyloxy-6-hydroxy-6,10-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,10,11,11a-hexahydrocyclodeca[b]furan-4-yl] 3-methylbutanoate

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Identifiers

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